4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide

C14H17N3O3S — CID 114954391

IUPAC4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCc1cnccc1C
InChIInChI=1S/C14H17N3O3S/c1-10-5-6-16-8-11(10)9-17-21(18,19)14-4-3-12(15)7-13(14)20-2/h3-8,17H,9,15H2,1-2H3
InChIKeyUKSBIJVKMFKOSN-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.46
Rot. Bonds5

About 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide

4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 114954391) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID114954391
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCc1cnccc1C
InChIInChI=1S/C14H17N3O3S/c1-10-5-6-16-8-11(10)9-17-21(18,19)14-4-3-12(15)7-13(14)20-2/h3-8,17H,9,15H2,1-2H3
InChIKeyUKSBIJVKMFKOSN-UHFFFAOYSA-N
XLogP1.46
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954417
4-amino-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 62996892
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954314
2-amino-5-bromo-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954439
4-amino-2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698284
3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954460
4-amino-2,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954441
4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61127981
4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61127020
3-amino-2-bromo-5-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954404
4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957462
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide (CID 114954391) is 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCc1cnccc1C.
What is the InChIKey of 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is UKSBIJVKMFKOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10-5-6-16-8-11(10)9-17-21(18,19)14-4-3-12(15)7-13(14)20-2/h3-8,17H,9,15H2,1-2H3.
What are the key properties of 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114954391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).